SCHEMBL5497529

SCHEMBL5497529

Cc1ccc(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1-c1ccc2nc(N)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.52
ROCK1 Q13464 3/20 0.52
LCK P06239 10/20 0.50
KDR P35968 10/20 0.50
MAPK14 Q16539 10/20 0.50
JAK3 P52333 5/20 0.50
TEK Q02763 3/20 0.50
RIPK1 Q13546 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
ABL1 P00519 1/20 0.46
DDR2 Q16832 2/20 0.45
KIT P10721 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK1 P28482 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21402117 1.00 ROCK2 (0.52) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL14568149 1.00 ROCK2 (0.52) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL5502111 0.84 LCK (0.54) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL21402152 0.84 LCK (0.54) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL14568148 0.84 LCK (0.54) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL21402130 0.81 LCK (0.59) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL5501169 0.81 LCK (0.59) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL5501448 0.81 LCK (0.59) ROCK2ROCK1LCKKDRMAPK14
SCHEMBL31620769 0.78 ABL1 (0.70) LCKKDRMAPK14JAK3TEK
SCHEMBL5494292 0.78 LCK (0.63) LCKKDRMAPK14JAK3TEK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ROCK2 960/4885ROCK1 726/4885LCK 106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.